N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine

C19H27NOS — CID 146420156

IUPACN-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine
SMILESCCC(C)Cc1ccc(OC(CCNC)c2cccs2)cc1
InChIInChI=1S/C19H27NOS/c1-4-15(2)14-16-7-9-17(10-8-16)21-18(11-12-20-3)19-6-5-13-22-19/h5-10,13,15,18,20H,4,11-12,14H2,1-3H3
InChIKeyYYZNIWCCLCWLGH-UHFFFAOYSA-N
MW317.50 g/mol
LogP5.07
Rot. Bonds9

About N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine

N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine (PubChem CID 146420156) has the molecular formula C19H27NOS and a molecular weight of 317.50 g/mol. Its IUPAC name is N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine
PubChem CID146420156
Molecular FormulaC19H27NOS
Molecular Weight317.50 g/mol
Exact Mass317.18
IUPAC NameN-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine
SMILESCCC(C)Cc1ccc(OC(CCNC)c2cccs2)cc1
InChIInChI=1S/C19H27NOS/c1-4-15(2)14-16-7-9-17(10-8-16)21-18(11-12-20-3)19-6-5-13-22-19/h5-10,13,15,18,20H,4,11-12,14H2,1-3H3
InChIKeyYYZNIWCCLCWLGH-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol
CID 90229934
3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 138560331
(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 146387264
3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 58879412
N-methyl-3-[2-[2-(methylamino)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 138738146
2-[[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;sulfane
CID 159790140
3-(4-chloronaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 15015312
3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 112501785
3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 146308662
(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 161149333
(3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 137371830
1,8-dimethyl-4-[[4-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-2,3,8,9-tetrahydropyrido[2,3-e][1,4]diazepin-5-one
CID 166843967

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine (CID 146420156) is N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine is CCC(C)Cc1ccc(OC(CCNC)c2cccs2)cc1.
What is the InChIKey of N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
The InChIKey is YYZNIWCCLCWLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NOS/c1-4-15(2)14-16-7-9-17(10-8-16)21-18(11-12-20-3)19-6-5-13-22-19/h5-10,13,15,18,20H,4,11-12,14H2,1-3H3.
What are the key properties of N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine has a molecular weight of 317.50 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 146420156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).